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(2S,3R)-3-chloranyl-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid

View entire compound with spectra: 1 MS (GC)

(2S,3R)-3-chloranyl-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid
SpectraBase Compound ID EmEVBt0CoQ9
InChI InChI=1S/C19H26ClNO3/c1-12(2)13(3)7-8-19(11-24-4)17(20)10-15-9-14(18(22)23)5-6-16(15)21-19/h5-6,9,17,21H,7-8,10-11H2,1-4H3,(H,22,23)/t17-,19+/m1/s1
InChIKey FWINDTDIQJWMLC-MJGOQNOKSA-N
Mol Weight 351.87 g/mol
Molecular Formula C19H26ClNO3
Exact Mass 351.160121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbXPRYAWiAc
Name (2S,3R)-3-chloranyl-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26ClNO3
InChI InChI=1S/C19H26ClNO3/c1-12(2)13(3)7-8-19(11-24-4)17(20)10-15-9-14(18(22)23)5-6-16(15)21-19/h5-6,9,17,21H,7-8,10-11H2,1-4H3,(H,22,23)/t17-,19+/m1/s1
InChIKey FWINDTDIQJWMLC-MJGOQNOKSA-N
Molecular Weight 351.874 g/mol
SMILES N1c2ccc(C(=O)O)cc2C[C@]([C@]1(CCC(=C(C)C)C)COC)(Cl)[H]
SPLASH splash10-0a4l-9000000000-5981672a44025f489bac
Source of Spectrum F-52-10627-2
Synonyms (2S,3R)-3-chloro-2-(3,4-dimethylpent-3-enyl)-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid
Wiley ID 798180